1-[(1Z,3E)-4-(4-methylphenyl)-1-thiophen-2-yl-buta-1,3-dien-2-yl]benzotriazole

Systemtic Name: 1-[(1Z,3E)-4-(4-methylphenyl)-1-thiophen-2-yl-buta-1,3-dien-2-yl]benzotriazole Openeye Name: 1-[(E,1Z)-3-(p-tolyl)-1-(2-thienylmethylene)allyl]benzotriazole CAS Name: 1-[(1Z,3E)-4-(4-methylphenyl)-1-thiophen-2-ylbuta-1,3-dien-2-yl]benzotriazole IUPAC Name: 1-[(1Z,3E)-4-(4-methylphenyl)-1-thiophen-2-ylbuta-1,3-dien-2-yl]benzotriazole Traditional Name: 1-[(E,1Z)-3-(p-tolyl)-1-(2-thenylidene)allyl]benzotriazole Formula: C21H17N3S MolecularWeight: 343.44478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=CC2=CC=CS2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=C/C2=CC=CS2)/N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H17N3S/c1-16-8-10-17(11-9-16)12-13-18(15-19-5-4-14-25-19)24-21-7-3-2-6-20(21)22-23-24/h2-15H,1H3/b13-12+,18-15-